1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-quinazolin-4-yloxyethanone

C25H23FN4O3 — CID 110119612

About 1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-quinazolin-4-yloxyethanone

1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-quinazolin-4-yloxyethanone (PubChem CID 110119612) has the molecular formula C25H23FN4O3 and a molecular weight of 446.48 g/mol. Its IUPAC name is 1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-quinazolin-4-yloxyethanone.

Molecular Properties

• Compound Name: 1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-quinazolin-4-yloxyethanone
• PubChem CID: 110119612
• Molecular Formula: C25H23FN4O3
• Molecular Weight: 446.48 g/mol
• Exact Mass: 446.18
• IUPAC Name: 1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-quinazolin-4-yloxyethanone
• SMILES: O=C(COc1ncnc2ccccc12)N1CCCC(c2ncc(Cc3cccc(F)c3)o2)C1
• InChI: InChI=1S/C25H23FN4O3/c26-19-7-3-5-17(11-19)12-20-13-27-24(33-20)18-6-4-10-30(14-18)23(31)15-32-25-21-8-1-2-9-22(21)28-16-29-25/h1-3,5,7-9,11,13,16,18H,4,6,10,12,14-15H2
• InChIKey: FJMACLRINGFOMH-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 81.35 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.48
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-quinazolin-4-yloxyethanone?

The IUPAC name of 1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-quinazolin-4-yloxyethanone (CID 110119612) is 1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-quinazolin-4-yloxyethanone.

What is the SMILES notation for 1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-quinazolin-4-yloxyethanone?

The canonical SMILES for 1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-quinazolin-4-yloxyethanone is O=C(COc1ncnc2ccccc12)N1CCCC(c2ncc(Cc3cccc(F)c3)o2)C1.

What is the InChIKey of 1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-quinazolin-4-yloxyethanone?

The InChIKey is FJMACLRINGFOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3/c26-19-7-3-5-17(11-19)12-20-13-27-24(33-20)18-6-4-10-30(14-18)23(31)15-32-25-21-8-1-2-9-22(21)28-16-29-25/h1-3,5,7-9,11,13,16,18H,4,6,10,12,14-15H2.

What are the key properties of 1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-quinazolin-4-yloxyethanone?

1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-quinazolin-4-yloxyethanone has a molecular weight of 446.48 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-quinazolin-4-yloxyethanone is sourced from PubChem (CID 110119612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).